Basic information
- CAS
634182-57-3- Standard SMILES
CC(=O)c1cn(C)c2ccc(N)cc12- InChIKey
JEFJEDJWDIQZNG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
Names & identifiers
- Preferred name
- 1-(5-Amino-1-methyl-3-indolyl)ethanone
- IUPAC
- 1-(5-amino-1-methylindol-3-yl)ethanone
- English name
- Ethanone, 1-(5-amino-1-methyl-1H-indol-3-yl)-
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
634182-57-31-(5-Amino-1-methyl-3-indolyl)ethanoneEthanone, 1-(5-amino-1-methyl-1H-indol-3-yl)-SCHEMBL64894351-(5-Amino-1-methyl-1H-indol-3-yl)-ethanone
Database identifiers
- CAS
634182-57-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 398.8 · 398.8±22.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.10(Predicted)
Chemistry & industry
Suppliers6 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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